4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline

C18H18N2S — CID 43667849

IUPAC4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
SMILESCCCc1ccc(-c2csc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C18H18N2S/c1-2-3-13-4-6-14(7-5-13)17-12-21-18(20-17)15-8-10-16(19)11-9-15/h4-12H,2-3,19H2,1H3
InChIKeyDYMIEOWKUHSDBZ-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.01
Rot. Bonds4

About 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline

4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline (PubChem CID 43667849) has the molecular formula C18H18N2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline.

Molecular Properties

Compound Name4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
PubChem CID43667849
Molecular FormulaC18H18N2S
Molecular Weight294.42 g/mol
Exact Mass294.12
IUPAC Name4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline
SMILESCCCc1ccc(-c2csc(-c3ccc(N)cc3)n2)cc1
InChIInChI=1S/C18H18N2S/c1-2-3-13-4-6-14(7-5-13)17-12-21-18(20-17)15-8-10-16(19)11-9-15/h4-12H,2-3,19H2,1H3
InChIKeyDYMIEOWKUHSDBZ-UHFFFAOYSA-N
XLogP5.01
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[2-(6-propyl-2-pyridinyl)-1,3-thiazol-4-yl]aniline
CID 163504277
4-chloro-2-(4-propylphenyl)-1,3-thiazole
CID 83158999
2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]aniline
CID 60707173
ethane;4-[4-(2-iodoethyl)phenyl]-2-phenyl-1,3-thiazole
CID 54249717
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
4-[2-(4-aminophenyl)-1,3-thiazol-4-yl]benzonitrile
CID 43667845
4-[4-(2-phenylethyl)phenyl]-2-(2-propyl-4-pyridinyl)-1,3-thiazole
CID 159855197
2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224
1-[4-(4-propylphenyl)-1,3-thiazol-2-yl]cyclopropan-1-amine
CID 116967625
4-tert-butyl-2-(4-propylphenyl)-1,3-thiazole
CID 170887766
4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline
CID 63993468
[4-(4-butylphenyl)-1,3-thiazol-2-yl]hydrazine
CID 93188542

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline?
The IUPAC name of 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline (CID 43667849) is 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline.
What is the SMILES notation for 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline?
The canonical SMILES for 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline is CCCc1ccc(-c2csc(-c3ccc(N)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline?
The InChIKey is DYMIEOWKUHSDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2S/c1-2-3-13-4-6-14(7-5-13)17-12-21-18(20-17)15-8-10-16(19)11-9-15/h4-12H,2-3,19H2,1H3.
What are the key properties of 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline?
4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline has a molecular weight of 294.42 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-propylphenyl)-1,3-thiazol-2-yl]aniline is sourced from PubChem (CID 43667849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).